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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177439

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1177439
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Si', 'O']
  • Chemical System: Cr-Li-O-Si
  • Density: 2.587921520744325
  • Atomic Density: 0.08768151695051787
  • Unit Cell Volume: 1505.4484068118118
  • Molar Volume: 6.868198646013995
  • Full Formula: Li30 Cr6 Si24 O72
  • Reduced Formula: Li5Cr(SiO3)4
  • Formula Anonymous: AB4C5D12
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -951.60471336
  • Final energy per atom: -7.209126616363636
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.